Structure of PDB 4bc7 Chain C Binding Site BS01

Receptor Information
>4bc7 Chain C (length=557) Species: 10141 (Cavia porcellus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GIIPKKRQELMKWNGWGYNDSKFFLNKKGQLELTGKRYPLSGVALPTFKD
WIQNTFGINLDHKTTSKASLNPSDTPPSIVNEDFLHELKKTNISYSQEAD
DRVFRAHGHCLHEIFLLREGMFERIPDIVLWPTCHDDVVKIVNLACKYNL
CIIPIGGGTSVSYGLMCPADETRTIISLDTSQMNRILWVDENNLTAHVEA
GITGQELERQLKESGYCTGHEPDSLEFSTVGGWISTRASGMKKNIYGNIE
DLVVHMKVVTPRGVIEKSCQGPRMSTGPDIHHFIMGSEGTLGVITEATIK
IRPTPEYQKYGSVAFPNFEQGVACLREIAKQRCAPASIHLMDNQQFQFGH
ALKPQGFDPNQLSVATLLFEGDREKVLQHEKQVYDIAAKFGGLAAGEDNG
QRGYLLTYVIAYMRDLGLEYYIIGESFETSAPWDRVVDLCRNVKERIRRE
CKEKGVQFPPLSTCRVTQTYDAGACIYFYFAFNYRGISDPLAVFEQTEAA
AREEILANGGSLSHHHGVGKLRKQWLKESISDVGFGMLKSVKDYVDPTNI
FGNRNLL
Ligand information
Ligand ID1DO
InChIInChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3
InChIKeyLQZZUXJYWNFBMV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04OCCCCCCCCCCCC
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCCCCCCCCCCO
FormulaC12 H26 O
Name1-DODECANOL
ChEMBLCHEMBL24722
DrugBankDB06894
ZINCZINC000001529403
PDB chain4bc7 Chain C Residue 888 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4bc7 Precursor of Ether Phospholipids is Synthesized by a Flavoenzyme Through Covalent Catalysis.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		I511 Y580
Binding residue
(residue number reindexed from 1)		I410 Y479
Annotation score5
Enzymatic activity
Enzyme Commision number 2.5.1.26: alkylglycerone-phosphate synthase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0008609 alkylglycerone-phosphate synthase activity
GO:0016740 transferase activity
GO:0050660 flavin adenine dinucleotide binding
GO:0071949 FAD binding
Biological Process
GO:0006629 lipid metabolic process
GO:0008610 lipid biosynthetic process
GO:0008611 ether lipid biosynthetic process
Cellular Component
GO:0005777 peroxisome
GO:0005778 peroxisomal membrane
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4bc7, PDBe:4bc7, PDBj:4bc7
PDBsum4bc7
PubMed23112191
UniProtP97275|ADAS_CAVPO Alkyldihydroxyacetonephosphate synthase, peroxisomal (Gene Name=AGPS)

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